1-[2-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonitrile

C25H26N4OS — CID 11654882

IUPAC1-[2-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(CCN2C(=O)CSC2c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C25H26N4OS/c26-18-25(19-6-2-1-3-7-19)10-12-28(13-11-25)14-15-29-23(30)17-31-24(29)21-16-27-22-9-5-4-8-20(21)22/h1-9,16,24,27H,10-15,17H2
InChIKeyHBFCHCZADDCWLD-UHFFFAOYSA-N
MW430.58 g/mol
LogP4.30
Rot. Bonds5

About 1-[2-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonitrile

1-[2-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 11654882) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is 1-[2-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonitrile
PubChem CID11654882
Molecular FormulaC25H26N4OS
Molecular Weight430.58 g/mol
Exact Mass430.18
IUPAC Name1-[2-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(CCN2C(=O)CSC2c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C25H26N4OS/c26-18-25(19-6-2-1-3-7-19)10-12-28(13-11-25)14-15-29-23(30)17-31-24(29)21-16-27-22-9-5-4-8-20(21)22/h1-9,16,24,27H,10-15,17H2
InChIKeyHBFCHCZADDCWLD-UHFFFAOYSA-N
XLogP4.30
TPSA63.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonitrile with MolForge

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Related Compounds

2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one
CID 4679955
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile
CID 57122337
3-(1H-benzimidazol-2-ylmethyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one
CID 23733195
3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one
CID 74229341
2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
CID 42795826
1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile
CID 10299367
3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
CID 127049589
3-(1H-indol-3-yl)-2-[2-(4-methylpiperidin-1-yl)ethyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 71168875
1-[2-(2-butyl-1,3-dimethyl-4,6-dioxopyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidine-4-carbonitrile
CID 24848780
methyl 3-[3-[2-(2-hydroxyethylsulfanyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate
CID 3780470
CID 163665844
CID 163665844
4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile
CID 22993489

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[2-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonitrile (CID 11654882) is 1-[2-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[2-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(CCN2C(=O)CSC2c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-[2-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is HBFCHCZADDCWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c26-18-25(19-6-2-1-3-7-19)10-12-28(13-11-25)14-15-29-23(30)17-31-24(29)21-16-27-22-9-5-4-8-20(21)22/h1-9,16,24,27H,10-15,17H2.
What are the key properties of 1-[2-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonitrile?
1-[2-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 430.58 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 11654882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).